CID 119784

27990-92-7

Structural Information

Molecular Formula

C₁₂H₉N₅

SMILES

C1=CC(=CC=C1NC2=CC=C(C=C2)[N+]#N)[N+]#N

InChI

InChI=1S/C12H9N5/c13-16-11-5-1-9(2-6-11)15-10-3-7-12(17-14)8-4-10/h1-8,15H/q+2

InChIKey

XOWWNDKUOUQJOC-UHFFFAOYSA-N

Compound name

4-(4-diazonioanilino)benzenediazonium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 223.0858 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.09308	170.6
[M+Na]+	246.07502	179.5
[M-H]-	222.07852	176.2
[M+NH4]+	241.11962	181.3
[M+K]+	262.04896	168.3
[M+H-H2O]+	206.08306	157.2
[M+HCOO]-	268.08400	186.1
[M+CH3COO]-	282.09965	218.5
[M+Na-2H]-	244.06047	176.3
[M]+	223.08525	160.6
[M]-	223.08635	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe